Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5949045

CC1=Cc2ccn(-c3ccccc3)c2C1[Si](C)(C)C1C(C)=Cc2ccn(-c3ccccc3)c21.[Cl-].[Cl-].[Zr+2]

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
COMT P21964 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5949277 0.77 NOTUM (0.33) NOTUMCOMTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5948948 0.75 RAB9A (0.35) NOTUMCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL7091485 0.72 NOTUM (0.33) NOTUMCOMT
Hydrochloric Acid SCHEMBL5948739 0.72 CYP3A4 (0.32) CYP3A4
Hydrochloric Acid SCHEMBL2513734 0.69 HSP90AA1 (0.30)
Hydrochloric Acid SCHEMBL2970565 0.67 CYP11B1 (0.33)
Hydrochloric Acid SCHEMBL8860745 0.64 CYP11B1 (0.33)
Hydrochloric Acid SCHEMBL5948892 0.64 RAB9A (0.35) NOTUMCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL61361 0.63 CYP19A1 (0.32)
SCHEMBL29844183 0.63 CYP19A1 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed
US-6482902-B1 Catalyst system TARGOR GMBH (DE) 2002-11-19 US claimed
US-7101940-B2 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-09-05 US disclosed
US-7034173-B2 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-04-25 US disclosed
US-6949614-B1 Catalyst system BASELL POLYOLEFINE GMBH (DE) 2005-09-27 US disclosed
US-6861384-B2 Process for preparation of a salt-like chemical compound and its use in catalyst systems for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2005-03-01 US disclosed
US-20040072975-A1 Salt-like chemical compound, its preparation and its use in catalyst systems for preparing polyolefins BASELL POLYPROPYLEN GMBH (DE) 2004-04-15 US disclosed
US-20040048992-A1 Process for preparation of salt-like chemical compound, and its use in catalyst systems for preparing polyolefins EQUISTAR CHEMICALS, LP 2004-03-11 US disclosed
US-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-07-31 US disclosed
US-20030069426-A1 Saline chemical composition, method for producing the same and the use thereof in catalyst systems for producing polyolefins SCHOTTEK JORG (DE) 2003-04-10 US disclosed
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-01-16 US disclosed
US-6482902-B1 Catalyst system TARGOR GMBH (DE) 2002-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins CBR1, COX6C, CBR3 NOTUM 1365/4885COMT 883/4885CYP1A2 26/4885
US-20030069426-A1 Saline chemical composition, method for producing the same and the use thereof in catalyst systems for producing polyolefins CLIC1, HACL2, ADH1C NOTUM 1657/4885COMT 3353/4885CYP1A2 2019/4885
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 NOTUM 239/4885COMT 2390/4885CYP1A2 348/4885
US-20040048992-A1 Process for preparation of salt-like chemical compound, and its use in catalyst systems for preparing polyolefins CLIC1, HACL2, RFC1 NOTUM 1644/4885COMT 3677/4885CYP1A2 1668/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.